Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCOc2ncc(Cl)cc21 |
MW: | 369.09 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c0891748-7
1.000
EDJ-MED-37aac4bd-5
1.000
ALP-POS-fe871b40-7
1.000
EDJ-MED-d08626de-2
0.667
EDG-MED-0e5afe9d-3
0.667
EDJ-MED-d08626de-1
0.667
PET-UNK-29afea89-2
0.667
EDJ-MED-37aac4bd-6
0.649
PET-UNK-81b485b5-1
0.645
PET-UNK-81b485b5-15
0.645
EDJ-MED-37aac4bd-1
0.637
MAT-POS-78e1d523-3
0.637
EDJ-MED-d08626de-3
0.637
MAT-POS-78e1d523-4
0.637
EDJ-MED-d08626de-4
0.637
EDJ-MED-d08626de-5
0.637
ALP-POS-fe871b40-3
0.632
ALP-POS-fe871b40-8
0.624
MAT-POS-993cdc78-1
0.611
ALP-POS-fe871b40-11
0.611
MAT-POS-993cdc78-2
0.611
MIC-UNK-ea4eb352-3
0.589
MAT-POS-d8472c4f-3
0.589
MAT-POS-932d1078-2
0.589
EDJ-MED-37aac4bd-4
0.589
MAT-POS-932d1078-3
0.589
MIC-UNK-ea4eb352-4
0.585
MAR-UCB-6ab2ec87-3
0.581
MIC-UNK-ea4eb352-1
0.567
EDJ-MED-211392e3-1
0.567
PET-UNK-9bf1291a-3
0.557
MIC-UNK-ea4eb352-12
0.557
EDJ-MED-4f704dc9-1
0.552
MIC-UNK-ea4eb352-7
0.552
MIC-UNK-ea4eb352-8
0.552
PET-UNK-c0891748-9
0.551
PET-UNK-c0891748-3
0.551
PET-UNK-022eab87-2
0.547
DAR-DIA-e7614d05-1
0.545
ALP-POS-fe871b40-12
0.545
MIC-UNK-ea4eb352-11
0.545
DAR-DIA-e7614d05-2
0.545
ALP-POS-93b3621f-1
0.545
DAR-DIA-e7614d05-3
0.545
NIR-THE-3fc2bec4-1
0.545
MAT-POS-89e65850-1
0.541
MAT-POS-c7771779-2
0.541
PET-UNK-1b92fa34-5
0.541
PET-UNK-824b5c6a-1
0.540
PET-UNK-3bb57da2-3
0.539
PET-UNK-c0891748-5
0.535
PET-UNK-c0891748-11
0.535
PET-UNK-824b5c6a-3
0.535
VLA-UNK-a5257d84-1
0.531
MIC-UNK-ea4eb352-5
0.531
PET-UNK-bcc8fd08-1
0.530
PET-UNK-1abb40f2-2
0.530
PET-UNK-1abb40f2-4
0.530
MIC-UNK-ddc6ad53-1
0.529
MAT-POS-89e65850-2
0.525
PET-UNK-1abb40f2-1
0.525
PET-UNK-1abb40f2-3
0.525
PET-UNK-10c83c8b-1
0.525
ALP-POS-fe871b40-4
0.524
PET-UNK-824b5c6a-2
0.524
EDJ-MED-e4b030d8-13
0.521
BEN-DND-a7517465-4
0.521
MAT-POS-8e4737f4-1
0.521
DAR-DIA-6a508060-10
0.521
MAT-POS-2905de8c-3
0.521
MAT-POS-f9802937-1
0.520
ALP-POS-f1807566-3
0.520
MIC-UNK-ea4eb352-9
0.520
PET-UNK-3bb57da2-1
0.519
EDG-MED-4c68219f-6
0.515
ED_-GRI-5b13fbe2-72
0.515
EDG-MED-4c68219f-12
0.515
RAL-THA-58fba2bc-2
0.515
EDG-MED-4c68219f-10
0.515
RAL-THA-58fba2bc-4
0.515
JOH-UNI-6e27fddc-2
0.514
ED_-GRI-5b13fbe2-68
0.514
EDG-MED-4c68219f-16
0.514
PET-UNK-9b23ef84-8
0.514
PET-UNK-9b23ef84-12
0.514
EDG-MED-971238d3-4
0.510
EDG-MED-971238d3-11
0.510
MAT-POS-2905de8c-2
0.510
MAT-POS-3b97339c-2
0.510
MAT-POS-2905de8c-1
0.510
MAT-POS-a5ef2d74-3
0.510
MAT-POS-ec6d90b7-4
0.510
EDJ-MED-611d11e7-10
0.510
MAT-POS-a5ef2d74-2
0.510
EDJ-MED-611d11e7-4
0.510
PET-UNK-f4e47ebd-17
0.510
MAT-POS-89bd6af1-4
0.510
MIC-UNK-ea4eb352-2
0.510
PET-UNK-9bf1291a-1
0.510
EDJ-MED-b1cef252-1
0.510